SCHEMBL25326458

SCHEMBL25326458

O=C(N1CC(OCc2ccc(OC(F)(F)F)cc2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.42
▸ ATXN2 Q99700 7/20 0.42
▸ HTR2B P41595 1/20 0.39
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ PDE2A O00408 2/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ DGAT2 Q96PD7 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ GPR183 P32249 1/20 0.35
▸ MGLL Q99685 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25324021 0.86 MGLL (0.38) ENPP2ATXN2MGLL
SCHEMBL25322558 0.85 BCHE (0.41) ENPP2ATXN2HTR2BPDE2AEPHX2
SCHEMBL30553286 0.84 ENPP2 (0.37) ENPP2MGLL
SCHEMBL25325767 0.84 ENPP2 (0.37) ENPP2MGLL
SCHEMBL25324941 0.83 GPR119 (0.36) ENPP2ATXN2
SCHEMBL30553215 0.81 LPL (0.38) ENPP2ATXN2MGLL
SCHEMBL25325591 0.81 LPL (0.38) ENPP2ATXN2MGLL
SCHEMBL27139371 0.80 MGLL (0.51) ENPP2ATXN2CARM1PRMT6CHRM1
SCHEMBL25324593 0.80 MGLL (0.37) ENPP2ATXN2CARM1PRMT6MGLL
SCHEMBL25324545 0.78 ENPP2 (0.41) ENPP2ATXN2PDE2AMGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 ENPP2 3934/4885ATXN2 1263/4885HTR2B 106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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